N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrazin-2-amine

C16H16FN5 — CID 134698262

IUPACN-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrazin-2-amine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CNc1cnccn1
InChIInChI=1S/C16H16FN5/c1-11-15(9-20-16-10-18-7-8-19-16)12(2)22(21-11)14-5-3-13(17)4-6-14/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKeyTXFQMGBZRAMBCU-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.03
Rot. Bonds4

About N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrazin-2-amine

N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrazin-2-amine (PubChem CID 134698262) has the molecular formula C16H16FN5 and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrazin-2-amine
PubChem CID134698262
Molecular FormulaC16H16FN5
Molecular Weight297.34 g/mol
Exact Mass297.14
IUPAC NameN-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrazin-2-amine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CNc1cnccn1
InChIInChI=1S/C16H16FN5/c1-11-15(9-20-16-10-18-7-8-19-16)12(2)22(21-11)14-5-3-13(17)4-6-14/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKeyTXFQMGBZRAMBCU-UHFFFAOYSA-N
XLogP3.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 131952839
1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol
CID 111119123
2-(ethylamino)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidine-5-carboxamide
CID 72856313
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 27882833
[2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol
CID 47626637
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 131944912
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122465
(3S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]oxan-3-amine
CID 124697837
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 46951838
1-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine
CID 29151930
1-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 84760351
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
CID 7028073

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrazin-2-amine (CID 134698262) is N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrazin-2-amine is Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1cnccn1.
What is the InChIKey of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrazin-2-amine?
The InChIKey is TXFQMGBZRAMBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5/c1-11-15(9-20-16-10-18-7-8-19-16)12(2)22(21-11)14-5-3-13(17)4-6-14/h3-8,10H,9H2,1-2H3,(H,19,20).
What are the key properties of N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrazin-2-amine?
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrazin-2-amine has a molecular weight of 297.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 134698262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).